6ILX

Crystal structure of PETase W159F mutant from Ideonella sakaiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97776
Spacegroup name	P 21 21 21
Unit cell lengths	51.087, 51.077, 85.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.838 - 1.450
R-factor	0.1703
Rwork	0.169
R-free	0.19510
RMSD bond length	0.008
RMSD bond angle	1.032
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	1.450	2.200
Rmerge	0.485
Rmeas	0.526
Rpim	0.202
Number of reflections	37628
<I/σ(I)>	3.53
Completeness [%]	100.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.1M Bis-Tris, pH 5.5, 3M NaCl